Information card for entry 2300208
Chemical name |
6-chloro-1,1-dioxo-2H-1,2,4-benzothiadiazine-7-sulfonamide |
Formula |
C7 H6 Cl N3 O4 S2 |
Calculated formula |
C7 H6 Cl N3 O4 S2 |
SMILES |
Clc1cc2NC=NS(=O)(=O)c2cc1S(=O)(=O)N |
Title of publication |
A differential thermal expansion approach to crystal structure determination from powder diffraction data |
Authors of publication |
Fernandes, P.; Shankland, K.; David, W. I. F.; Markvardsen, A. J.; Florence, A. J.; Shankland, N.; Leech, C. K. |
Journal of publication |
Journal of Applied Crystallography |
Year of publication |
2008 |
Journal volume |
41 |
Journal issue |
6 |
Pages of publication |
1089 - 1094 |
a |
4.8786 ± 0.0009 Å |
b |
6.4126 ± 0.0013 Å |
c |
8.9665 ± 0.0016 Å |
α |
74.266 ± 0.016° |
β |
83.693 ± 0.015° |
γ |
80.445 ± 0.016° |
Cell volume |
265.63 ± 0.09 Å3 |
Number of distinct elements |
6 |
Space group number |
1 |
Hermann-Mauguin space group symbol |
P 1 |
Hall space group symbol |
P 1 |
Has coordinates |
Yes |
Has disorder |
No |
Has Fobs |
No |
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The link is:
https://www.crystallography.net/2300208.html